⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL8159733 | 1.00 | — | — | |
| SCHEMBL16063271 | 1.00 | — | — | |
| SCHEMBL8274284 | 1.00 | — | — | |
| SCHEMBL17166940 | 1.00 | — | — | |
| SCHEMBL5868371 | 0.87 | ALDH1A1 (0.39) | — | |
| SCHEMBL5868370 | 0.87 | ALDH1A1 (0.39) | — | |
| Isopropyl Alcohol SCHEMBL8670161 | 0.79 | ALDH1A1 (0.50) | — | |
| SCHEMBL13040860 | 0.78 | — | — | |
| SCHEMBL11336335 | 0.77 | FPR2 (0.31) | — | |
| SCHEMBL7127380 | 0.77 | PPARG (0.34) | — |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20140323562-A1 | THIOSULFINATE ANTIOXIDANTS AND METHODS OF USE THEREOF | Universition of Ottawa (CA) | 2014-10-30 | — | — | US | disclosed |
| US-4464304-A | Vinyl Cyclopropyl compounds as precursors to fatty acid oxidation products | DUKE UNIVERSITY (US) | 1984-08-07 | — | — | US | disclosed |
| US-4350834-A | Vinyl cyclopropyl compounds as precursors to fatty acid oxidation products | DUKE UNIVERSITY (US) | 1982-09-21 | — | — | US | disclosed |